E950-0249 Screening compound: methyl 3-{1H-pyrrolo[3,2-h]quinoline-2-amido}thiophene-2-carboxylate

E950-0249 Screening compound: methyl 3-{1H-pyrrolo[3,2-h]quinoline-2-amido}thiophene-2-carboxylate
E950-0249 Screening compound: methyl 3-{1H-pyrrolo[3,2-h]quinoline-2-amido}thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E950-0249
methyl 3-{1H-pyrrolo[3,2-h]quinoline-2-amido}thiophene-2-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E950-0249

Molecular Formula

C18H13N3O3S (C18 H13 N3 O3 S)

Compound Name

methyl 3-{1H-pyrrolo[3,2-h]quinoline-2-amido}thiophene-2-carboxylate

IUPAC name

methyl 3-{1H-pyrrolo[32-h]quinoline-2-amido}thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(c1cc(ccc2cccnc22)c2[nH]1)=O)=O

InChI

InChI=1S/C18H13N3O3S/c1-24-18(23)16-12(6-8-25-16)21-17(22)13-9-11-5-4-10-3-2-7-19-14(10)15(11)20-13/h2-9,20H,1H3,(H,21,22)

InChI Key

AZHKAZPVEUGPCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.326

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-3.50

Polar Surface Area

64.477

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

E950-0249 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E950-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E950-0249?
Check Price and Availability of E950-0249, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E950-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E950-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E950-0249
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E950-0249 available by request